Match comparison for Born charge O YY w=0.0 (match type 17688)

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.496040000000000e-01 1.750000000000000e-05 -3.496020000000001e-01 5.551115123125783e-17 -3.496020000000000e-01 0.000000000000000e+00 PASS

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Detailed information

Reference: -0.349604, precision: 0.0000175
Run Value Difference Relative difference Status
eb_foss-2022a_ppc -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
cmake_foss_2022a_full_serial -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
cmake_foss_2022a_min_serial -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
cmake_foss_2022a_full_mpi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
eb_fosscuda-2022a -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
cmake_foss_2022a_min_mpi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
eb_foss-2022a_debug -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
eb_foss-2022b_libxc6 -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
eb_intel-2022a -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
eb_foss-2022b_libxc6_mpi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
intel-2022b -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
eb_intel-2022a_omp -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
eb_foss-2022a_mpi_debug -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
eb_intel-2022a_impi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_serial -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_mpi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_serial_min -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
intel-2022b_impi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_serial_debug -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_serial_omp -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_serial_opt -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_mpi_omp -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
eb_intel-2022a_omp_impi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
eb_foss-2022a_valgrind -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS